[2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

C19H20FN3O2 — CID 135117191

IUPAC[2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(N2CC(Oc3ccccc3F)C2)c1)N1CCCC1
InChIInChI=1S/C19H20FN3O2/c20-16-5-1-2-6-17(16)25-15-12-23(13-15)18-11-14(7-8-21-18)19(24)22-9-3-4-10-22/h1-2,5-8,11,15H,3-4,9-10,12-13H2
InChIKeyFFPZEWFTPRUFFH-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.72
Rot. Bonds4

About [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

[2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 135117191) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID135117191
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name[2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccnc(N2CC(Oc3ccccc3F)C2)c1)N1CCCC1
InChIInChI=1S/C19H20FN3O2/c20-16-5-1-2-6-17(16)25-15-12-23(13-15)18-11-14(7-8-21-18)19(24)22-9-3-4-10-22/h1-2,5-8,11,15H,3-4,9-10,12-13H2
InChIKeyFFPZEWFTPRUFFH-UHFFFAOYSA-N
XLogP2.72
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 72845735
[2-(2-fluoro-6-methoxyphenyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 56701220
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
[2-(azepan-1-yl)-4-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109173653
N-[3-[6-[3-(2-fluorophenoxy)azetidin-1-yl]pyrimidin-4-yl]cyclobutyl]acetamide
CID 91795366
[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 133138711
[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109173670
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
(4-benzylpiperazin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574439
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110108021
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 135117191) is [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1ccnc(N2CC(Oc3ccccc3F)C2)c1)N1CCCC1.
What is the InChIKey of [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is FFPZEWFTPRUFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-16-5-1-2-6-17(16)25-15-12-23(13-15)18-11-14(7-8-21-18)19(24)22-9-3-4-10-22/h1-2,5-8,11,15H,3-4,9-10,12-13H2.
What are the key properties of [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?
[2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 341.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-fluorophenoxy)azetidin-1-yl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135117191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).